2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

C24H28N6O — CID 53312230

IUPAC2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2ccncn2)CC1
InChIInChI=1S/C24H28N6O/c1-17(2)19-6-7-21(28-24(31)20-5-4-9-26-18(20)3)22(15-19)29-11-13-30(14-12-29)23-8-10-25-16-27-23/h4-10,15-17H,11-14H2,1-3H3,(H,28,31)
InChIKeyHEHUYDGXGRIAQM-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.88
Rot. Bonds5

About 2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 53312230) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID53312230
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2ccncn2)CC1
InChIInChI=1S/C24H28N6O/c1-17(2)19-6-7-21(28-24(31)20-5-4-9-26-18(20)3)22(15-19)29-11-13-30(14-12-29)23-8-10-25-16-27-23/h4-10,15-17H,11-14H2,1-3H3,(H,28,31)
InChIKeyHEHUYDGXGRIAQM-UHFFFAOYSA-N
XLogP3.88
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 53311473
5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 53312062
N-[2-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]pyridine-3-carboxamide
CID 53311730
2-(dimethylamino)-4-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 53312229
2-ethyl-3,6-difluoro-N-[2-[4-(4-methylpyrazin-4-ium-2-yl)piperazin-1-yl]-4-propan-2-ylphenyl]benzamide
CID 123205799
2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 166198478
2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 50781891
5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide;5-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;6-methyl-N-[4-propan-2-yl-2-(4-pyrazin-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide;N-phenyl-4-[5-propan-2-yl-2-(pyridine-3-carbonylamino)phenyl]piperazine-1-carboxamide
CID 161088509
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpyridine-3-carboxamide
CID 75446631
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 110863795
N-(3-acetamidophenyl)-2-methylpyridine-3-carboxamide
CID 110861306
N-(5-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 110859088

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (CID 53312230) is 2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is Cc1ncccc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2ccncn2)CC1.
What is the InChIKey of 2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is HEHUYDGXGRIAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-17(2)19-6-7-21(28-24(31)20-5-4-9-26-18(20)3)22(15-19)29-11-13-30(14-12-29)23-8-10-25-16-27-23/h4-10,15-17H,11-14H2,1-3H3,(H,28,31).
What are the key properties of 2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-propan-2-yl-2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 53312230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).